AG00I91Z

504-15-4 | 1,3-Benzenediol, 5-methyl-

AG00I91Z

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CAS Number	504-15-4
Catalog Number	AG00I91Z(AGN-PC-0JK9JY)
Chemical Name	1,3-Benzenediol, 5-methyl-
EC Number	207-984-2
IUPAC Name	5-methylbenzene-1,3-diol
InChI	InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChI Key	OIPPWFOQEKKFEE-UHFFFAOYSA-N
MDL Number	MFCD00149092
Molecular Formula	C7H8O2
Molecular Weight	124.1372
NSC Number	12441
RTECS Number	VH2100000
SMILES	OC1=CC(C)=CC(O)=C1
UNII	534PMB3438
Synonyms	3,5-dihydroxytoluene, 5-methylresorcinol, orcinol, orcinol, 14C-labeled cpd, orzin, Orcinol, 3,5-Dihydroxytoluene, 504-15-4, 5-methylbenzene-1,3-diol, 5-METHYLRESORCINOL, 1,3-Dihydroxy-5-methylbenzene, 5-Methyl-1,3-benzenediol, Orcin, 5-Methylresorcin, 3-Hydroxy-5-methylphenol, 3,5-Toluenediol, 1,3-Benzenediol, 5-methyl-, Orcinol, 5-methylresorcinol, Resorcinol, 5-methyl-, 5-Methyl Resorcinol, Oricinol, Orcinol anhydrous, MFCD00002291, NSC 12441, 5-Methyl-1,3-dihydroxybenzene, UNII-534PMB3438, CHEBI:16536, EINECS 207-984-2, 5-Methylresorcinol anhydrous, BRN 1071903, 5-Methyl-benzene-1,3-diol, AI3-23954, OIPPWFOQEKKFEE-UHFFFAOYSA-N, 1,5-DIHYDROXY-3-METHYLBENZENE, 534PMB3438, Orcinol, 98%, Orcine, 5-methyl-resorcinol, resorcinol monohydrate, 3,5-ToluenediolOrcin, Orcinol, 97%, PubChem15386, 3,5-Dihydroxy-toluene, 5-METHYLRESONCINOL, 5-methylbenzen-1,3-diol, Methylresorcinol (Related), WLN: QR CQ E1, SCHEMBL68497, METHYLRESORCINOL-(5), 4-06-00-05892 (Beilstein Handbook Reference), 5-Methylresorcinol, anhydrous, KSC269I4F, 2,6-DIMETHYLRESORCINOL, AC1L1V72, CHEMBL110059, DTXSID2060123, CTK1G9442, KS-00000JFA, ABLOCK AB-13-7460, ZINC391826, NSC12441, ANW-30987, BBL027377, BDBM50104667, c0155, NSC-12441, SBB006928, STL146540, AKOS000280922, CS-W008652, MCULE-5278471842, NE10165, RP19566, RP19567, RTR-018011, SC10142, 4CN-0955, AC-10290, AJ-21125, AK-40748, AN-21438, AS-14515, CJ-03514, L451, SC-13774, ST058419, ZB012063, DB-022064, LS-143409, TL8003342, TR-018011, FT-0082879, FT-0620669, M0426, M1235, ST24029530, C00727, O-2990, 153D395, 504M154, A828110, I01-0546, I01-10407, F0001-1314, InChI=1/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H, orzin, Methyl-5-resorcinol, 1, 5-methyl-, Dihydroxytoluene (Related), orcinol, 14C-labeled cpd, C7H8O2, C7-H8-O2, CID10436, 3,5-DIHYDROXYTOLUENE MONOHYDRATE, Orcinol, 98% - 100G 100g, 3,5-Dihydroxytoluene, 98% - 25G 25g, C005282, 6153-39-5,

Complexity	82.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.052g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	124.139g/mol
Monoisotopic Mass	124.052g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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